SCHEMBL23400142

SCHEMBL23400142

Cc1ccc(-c2nn(C(C)(C)C)c(O)c2-c2ccccc2)cc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 3/20 0.47
SMN1; SMN2 Q16637 3/20 0.47
SRC P12931 3/20 0.43
ALDH1A1 P00352 3/20 0.43
ABL1 P00519 2/20 0.43
KDM4E B2RXH2 2/20 0.43
RIPK2 O43353 2/20 0.43
PLK4 O00444 1/20 0.43
ROCK2 O75116 1/20 0.43
PRKD3 O94806 1/20 0.43
MAP4K4 O95819 1/20 0.43
EGFR P00533 1/20 0.43
LMNA P02545 1/20 0.43
ERBB2 P04626 1/20 0.43
INSR P06213 1/20 0.43
LCK P06239 1/20 0.43
FYN P06241 1/20 0.43
CSF1R P07333 1/20 0.43
YES1 P07947 1/20 0.43
LYN P07948 1/20 0.43

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL23398828 1.00 HPGD (0.47) HPGDSMN1; SMN2SRCALDH1A1ABL1
SCHEMBL23399789 0.94 RIPK2 (0.47) HPGDSMN1; SMN2SRCALDH1A1ABL1
SCHEMBL23400097 0.92 SMN1; SMN2 (0.49) HPGDSMN1; SMN2SRCALDH1A1ABL1
SCHEMBL23398378 0.87 RIPK2 (0.52) HPGDSMN1; SMN2SRCALDH1A1ABL1
SCHEMBL23402057 0.86 RIPK2 (0.53) HPGDSMN1; SMN2SRCALDH1A1ABL1
SCHEMBL23402019 0.85 MAPT (0.40) HPGDSMN1; SMN2SRCALDH1A1ABL1
SCHEMBL23400859 0.82 CCNA2 (0.52) SMN1; SMN2SRCALDH1A1KDRTDP1
SCHEMBL23400965 0.82 CCNA2 (0.52) SMN1; SMN2SRCALDH1A1KDRTDP1
SCHEMBL23400301 0.81 SMN1; SMN2 (0.46) HPGDSMN1; SMN2SRCALDH1A1ABL1
SCHEMBL23403034 0.80 SMN1; SMN2 (0.48) SMN1; SMN2ALDH1A1KDM4ELMNATDP1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3828159-A1 STORAGE AND TRANSPORT STABILIZERS FOR POLYMERIZABLE COMPOUNDS BASF SE (DE) 2021-06-02 EP disclosed